2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine

C20H14N2OS — CID 168828065

IUPAC2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4scc(C)c4cn3)cccc12
InChIInChI=1S/C20H14N2OS/c1-11-10-24-18-8-17(21-9-16(11)18)15-5-3-4-13-14-7-6-12(2)22-20(14)23-19(13)15/h3-10H,1-2H3
InChIKeyJAJOVQXVRSTNTK-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.87
Rot. Bonds1

About 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine

2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828065) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168828065
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc4scc(C)c4cn3)cccc12
InChIInChI=1S/C20H14N2OS/c1-11-10-24-18-8-17(21-9-16(11)18)15-5-3-4-13-14-7-6-12(2)22-20(14)23-19(13)15/h3-10H,1-2H3
InChIKeyJAJOVQXVRSTNTK-UHFFFAOYSA-N
XLogP5.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726
2-methyl-8-[5-methyl-4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779482
8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626002
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
CID 168828175
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626207
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine (CID 168828065) is 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc4scc(C)c4cn3)cccc12.
What is the InChIKey of 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is JAJOVQXVRSTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c1-11-10-24-18-8-17(21-9-16(11)18)15-5-3-4-13-14-7-6-12(2)22-20(14)23-19(13)15/h3-10H,1-2H3.
What are the key properties of 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 330.41 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).